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Motivation: This paper presents libRoadRunner 2.0, an extensible, high-performance, cross-platform, open-source software library for the simulation and analysis of models expressed using Systems Biology Markup Language SBML). Results:…

Quantitative Methods · Quantitative Biology 2022-03-03 Ciaran Welsh , Jin Xu , Lucian Smith , Matthias König , Kiri Choi , Herbert M. Sauro

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The…

Chemical Physics · Physics 2024-02-08 Nung Siong Lai , Yi Shen Tew , Xialin Zhong , Jun Yin , Jiali Li , Binhang Yan , Xiaonan Wang

Public omics databases like the Gene Expression Omnibus and the Sequence Read Archive offer substantial opportunities for data reuse to address novel biomedical questions. However, it is still difficult to find samples and studies of…

The paper advocates for LLMs to enhance the accessibility, usage and explainability of rule-based legal systems, contributing to a democratic and stakeholder-oriented view of legal technology. A methodology is developed to explore the…

Artificial Intelligence · Computer Science 2023-11-21 Marco Billi , Alessandro Parenti , Giuseppe Pisano , Marco Sanchi

The fast and affordable sequencing of large clinical and environmental metagenomic datasets opens up new horizons in medical and biotechnological applications. It is believed that today we have described only about 1\% of the microorganisms…

Genomics · Quantitative Biology 2017-10-31 Balazs Szalkai , Vince Grolmusz

Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular…

Computation and Language · Computer Science 2024-01-30 Qizhi Pei , Wei Zhang , Jinhua Zhu , Kehan Wu , Kaiyuan Gao , Lijun Wu , Yingce Xia , Rui Yan

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

This paper presents MinionsLLM, a novel framework that integrates Large Language Models (LLMs) with Behavior Trees (BTs) and Formal Grammars to enable natural language control of multi-agent systems within arbitrary, user-defined…

Computation and Language · Computer Science 2025-08-13 Andres Garcia Rincon , Eliseo Ferrante

We introduce a natural language interface for building stochastic pi calculus models of biological systems. In this language, complex constructs describing biochemical events are built from basic primitives of association, dissociation and…

Programming Languages · Computer Science 2009-11-13 Ozan Kahramanoğullari , Luca Cardelli , Emmanuelle Caron

Large Language Models (LLMs) have demonstrated strong capabilities in natural language reasoning, yet their application to Cyber Threat Intelligence (CTI) remains limited. CTI analysis involves distilling large volumes of unstructured…

Cryptography and Security · Computer Science 2026-02-17 Md Tanvirul Alam , Dipkamal Bhusal , Salman Ahmad , Nidhi Rastogi , Peter Worth

The evaluation of large language models (LLMs) is crucial to assess their performance and mitigate potential security risks. In this paper, we introduce PromptBench, a unified library to evaluate LLMs. It consists of several key components…

Artificial Intelligence · Computer Science 2024-08-21 Kaijie Zhu , Qinlin Zhao , Hao Chen , Jindong Wang , Xing Xie

Explainable recommender systems are designed to elucidate the explanation behind each recommendation, enabling users to comprehend the underlying logic. Previous works perform rating prediction and explanation generation in a multi-task…

Information Retrieval · Computer Science 2025-04-09 Shijie Liu , Ruixing Ding , Weihai Lu , Jun Wang , Mo Yu , Xiaoming Shi , Wei Zhang

Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…

Computational Physics · Physics 2020-12-02 C. Palenzuela , B. Miñano , A. Arbona , C. Bona-Casas , C. Bona , J. Massó

Machine learning is revolutionizing image-based diagnostics in pathology and radiology. ML models have shown promising results in research settings, but their lack of interoperability has been a major barrier for clinical integration and…

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Large Language Models (LLMs) offer powerful capabilities for natural language understanding, enabling more intelligent smart home assistants. However, existing systems often rely on cloud-based LLMs, raising concerns around user privacy and…

Human-Computer Interaction · Computer Science 2025-08-12 Ziqi Yin , Mingxin Zhang , Daisuke Kawahara

After decades of use in dictation and, more recently, ambient documentation, speech is emerging as a primary modality for interacting with technology and AI in healthcare. Yet medical speech recognition remains difficult: systems must…

Machine Learning · Computer Science 2026-05-22 Arne Nix , Robert James , Lasse Borgholt , Anna B. Ekner , Lana Krumm , Julius Severin , Dan Engel , Lars Maaløe , Jakob Havtorn

Biomedical research results are being published at a high rate, and with existing search engines, the vast amount of published work is usually easily accessible. However, reproducing published results, either experimental data or…

Molecular Networks · Quantitative Biology 2017-06-19 Kai-Wen Liang , Qinsi Wang , Cheryl Telmer , Divyaa Ravichandran , Peter Spirtes , Natasa Miskov-Zivanov

This paper presents a framework for modeling, simulating, and checking properties of critical systems based on the Alloy language -- a declarative, first-order, relational logic with a built-in transitive closure operator. The paper…

Logic in Computer Science · Computer Science 2014-08-05 Aboubakr Achraf El Ghazi , Ulrich Geilmann , Mattias Ulbrich , Mana Taghdiri

Machine learning accelerates molecular property prediction, yet state-of-the-art Large Language Models and Graph Neural Networks operate as black boxes. In drug discovery, where safety is critical, this opacity risks masking false…

Machine Learning · Computer Science 2026-03-03 Oscar Rivera , Ziqing Wang , Matthieu Dagommer , Abhishek Pandey , Kaize Ding